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Home > Aldehydes > 798550-58-0
798550-58-0 | Thieno[2,3-b]-1,4-dioxin-6-carboxaldehyde, 2,3-dihydro-
CAS No: 798550-58-0 Catalog No: AG00555M MDL No:
Product Description
Catalog Number:
AG00555M
Chemical Name:
Thieno[2,3-b]-1,4-dioxin-6-carboxaldehyde, 2,3-dihydro-
CAS Number:
798550-58-0
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
IUPAC Name:
2,3-dihydrothieno[2,3-b][1,4]dioxine-6-carbaldehyde
InChI:
InChI=1S/C7H6O3S/c8-4-5-3-6-7(11-5)10-2-1-9-6/h3-4H,1-2H2
InChI Key:
WLUDSGLZUQIJKN-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)OCCO2
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.182g/mol
Monoisotopic Mass:
170.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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